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CHEBI:226810 - Pestalpolyol C

ChEBI IDCHEBI:226810
ChEBI NamePestalpolyol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O5
Net Charge0
Average Mass534.822
Monoisotopic Mass534.42842
SMILESCC[C@H](C)C[C@H](C)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)C(C)=O
InChIInChI=1S/C33H58O5/c1-13-19(2)14-21(4)30(35)23(6)16-25(8)32(37)27(10)18-28(11)33(38)26(9)17-24(7)31(36)22(5)15-20(3)29(12)34/h15-19,21-23,26-27,30-33,35-38H,13-14H2,1-12H3/b20-15+,24-17+,25-16+,28-18+/t19-,21-,22-,23+,26-,27-,30+,31-,32+,33-/m0/s1
InChIKeyJRHOHMAJDUWMNY-OVNCBTQESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies CR013 (ncbitaxon:1587512) - PubMed (26227504)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol C (CHEBI:226810) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(3E,5S,6S,7E,9S,10S,11E,13S,14S,15E,17R,18R,19S,21S)-6,10,14,18-tetrahydroxy-3,5,7,9,11,13,15,17,19,21-decamethyltricosa-3,7,11,15-tetraen-2-one
Manual XrefsDatabases
78441241ChemSpider